(3-chlorothiophen-2-yl)-(4-methylthiomorpholin-3-yl)methanone

C10H12ClNOS2 — CID 107359505

IUPAC(3-chlorothiophen-2-yl)-(4-methylthiomorpholin-3-yl)methanone
SMILESCN1CCSCC1C(=O)c1sccc1Cl
InChIInChI=1S/C10H12ClNOS2/c1-12-3-5-14-6-8(12)9(13)10-7(11)2-4-15-10/h2,4,8H,3,5-6H2,1H3
InChIKeyWFCFLYQEZYUJHW-UHFFFAOYSA-N
MW261.80 g/mol
LogP2.63
Rot. Bonds2

About (3-chlorothiophen-2-yl)-(4-methylthiomorpholin-3-yl)methanone

(3-chlorothiophen-2-yl)-(4-methylthiomorpholin-3-yl)methanone (PubChem CID 107359505) has the molecular formula C10H12ClNOS2 and a molecular weight of 261.80 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-(4-methylthiomorpholin-3-yl)methanone.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-(4-methylthiomorpholin-3-yl)methanone
PubChem CID107359505
Molecular FormulaC10H12ClNOS2
Molecular Weight261.80 g/mol
Exact Mass261.00
IUPAC Name(3-chlorothiophen-2-yl)-(4-methylthiomorpholin-3-yl)methanone
SMILESCN1CCSCC1C(=O)c1sccc1Cl
InChIInChI=1S/C10H12ClNOS2/c1-12-3-5-14-6-8(12)9(13)10-7(11)2-4-15-10/h2,4,8H,3,5-6H2,1H3
InChIKeyWFCFLYQEZYUJHW-UHFFFAOYSA-N
XLogP2.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.80
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-(4-methylthiomorpholin-3-yl)methanone?
The IUPAC name of (3-chlorothiophen-2-yl)-(4-methylthiomorpholin-3-yl)methanone (CID 107359505) is (3-chlorothiophen-2-yl)-(4-methylthiomorpholin-3-yl)methanone.
What is the SMILES notation for (3-chlorothiophen-2-yl)-(4-methylthiomorpholin-3-yl)methanone?
The canonical SMILES for (3-chlorothiophen-2-yl)-(4-methylthiomorpholin-3-yl)methanone is CN1CCSCC1C(=O)c1sccc1Cl.
What is the InChIKey of (3-chlorothiophen-2-yl)-(4-methylthiomorpholin-3-yl)methanone?
The InChIKey is WFCFLYQEZYUJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNOS2/c1-12-3-5-14-6-8(12)9(13)10-7(11)2-4-15-10/h2,4,8H,3,5-6H2,1H3.
What are the key properties of (3-chlorothiophen-2-yl)-(4-methylthiomorpholin-3-yl)methanone?
(3-chlorothiophen-2-yl)-(4-methylthiomorpholin-3-yl)methanone has a molecular weight of 261.80 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-(4-methylthiomorpholin-3-yl)methanone is sourced from PubChem (CID 107359505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).